Aminoacid Solvent NH 1H Chemical Shifts Temp Coff 3JNH α β others Arg HFA - 4.11 1.97 γCH2 1.72, δCH2 3.19 NH 7.14 - -   Water 8.28 4.26 1.78 γCH2 1.57, δCH2 3.17 NH 7.15 7 - Gly HFA 8.49 4.11, 4.18 - - 7 -   Water 8.67 4.21, 4.10 - - 6.8 10.9 Pro HFA - 4.46 2.26 γCH2 2.02, δ1CH2 3.64 δ2CH2 3.54 - -   Water - 4.44 1.9 γCH2 1.68, δ1CH2 3.63 - - Gly Gly' HFA 8.09 8.23 3.96 4.01 - - 8 -   Water 8.4 3.9 - - 6.9 10.4 Arg HFA 7.97 4.33 1.81 γCH2 1. 72, 1.61, δCH2 3.17, NH 7.05 8 4.48   Water 8.18 4.28 1.87 γCH2 1. 77, 1.57, δCH2 3.15, NH 7.15 6.8 7.9 Ala HFA 8.03 4.27 1.32 - 8 4.37   Water 8.29 4.26 1.27 - 7 7.4 Phe HFA 7.80 4.63 3.17, 3.07 - 6 9.14   Water 8.15 4.6 3.10, 3 7.39, 7.34 7 7.5 Val HFA 6.27 4.20 2.08 γCH3 0.91 9 6.70   Water 7.99 4.15 2.0 γCH3 0.88 6.1 8.4 Thr HFA 7.90 4.43 4.25 γCH3 1.22 7 6.64   Water 8.23 4.33 4.14 γCH3 1.2 7.4 8.4 Ile HFA 7.72 4.29 1.91 γ1CH2 1.47, γ2CH2 1.20 γCH3 0.93 8 5.85   Water 8.1 4.19 - γ1CH2 1.43, 1.16 7.6 9.9

Table 2: 1H Chemical Shifts, Temperature coefficient of amide proton and 3JNH for fragment 318-327 of V3 loop of HIV-1 in water and HFA.

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